N-[4-(piperidine-4-carbonyl)phenyl]acetamide

• ChemBase ID: 92221
• Molecular Formular: C14H18N2O2
• Molecular Mass: 246.30492
• Monoisotopic Mass: 246.13682783
• SMILES: N1CCC(CC1)C(=O)c1ccc(cc1)NC(=O)C
• Canonical SMILES: O=C(c1ccc(cc1)NC(=O)C)C1CCNCC1
• InChI: InChI=1S/C14H18N2O2/c1-10(17)16-13-4-2-11(3-5-13)14(18)12-6-8-15-9-7-12/h2-5,12,15H,6-9H2,1H3,(H,16,17)
• InChIKey: LLEYCMVEUNZRIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(piperidine-4-carbonyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(piperidine-4-carbonyl)phenyl]acetamide
• Synonyms: N-[4-(Piperidine-4-carbonyl)phenyl]acetamide; N-[4-(Piperidin-4-ylcarbonyl)phenyl]acetamide; 4'-(Piperidin-4-ylcarbonyl)acetanilide 97%

Database IDs

• CAS Number: 124035-23-0
• MDL Number: MFCD08690322
• PubChem SID: 162078919
• PubChem CID: 15680074

CALCULATED PROPERTIES

• Acid pKa: 13.793388
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3498762
• LogD (pH = 7.4): -1.6950939
• Log P: 0.8721816
• Molar Refractivity: 71.7554 cm^3
• Polarizability: 27.10382 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167-170.5°C

Safety Information

• Storage Warning: Corrosive/Store under Argon

Product Information

• Purity: 97%